BOND MOMENTS AND MOLECULAR ORBITALS FOR METHANE
Creators:King, W. T.
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Publisher:Ohio State University
“The applicability of simple molecular orbital theory as a basis for determining approximate empirical wave functions is examined for the methane molecule. It is found that LCAO molecular orbitals provide a fairly good approximation to the molecular wave function of methane in its equilibrium configuration, but represent the changes in the wave function produced by molecular deformation too crudely to reproduce its dipole moment derivatives determined by infrared intensity measurements on methane.”
Author Institution: Metealf Research Laboratory, Brown University